A perspective on methods to computationally design the morphology of aerogels
A Rege - Advanced Engineering Materials, 2023 - Wiley Online Library
Reconstructing aerogel morphology presents significant challenges, in particular, if 3D
visualizations of their mesoporous network are desired. Available microscopic and …
visualizations of their mesoporous network are desired. Available microscopic and …
[HTML][HTML] Computational design of biopolymer aerogels and predictive modelling of their nanostructure and mechanical behaviour
To address the challenge of reconstructing or designing the three-dimensional
microstructure of nanoporous materials, we develop a computational approach by …
microstructure of nanoporous materials, we develop a computational approach by …
Simulation and modeling of aerogels using atomistic and mesoscale methods
LD Gelb - Aerogels Handbook, 2011 - Springer
Molecular modeling and simulation are now widely used in many areas of materials science.
In this chapter, we consider the application of these techniques to developing a better …
In this chapter, we consider the application of these techniques to developing a better …
Investigation of the bulk modulus of silica aerogel using molecular dynamics simulations of a coarse-grained model
CA Ferreiro-Rangel, LD Gelb - The Journal of Physical Chemistry …, 2013 - ACS Publications
Structural and mechanical properties of silica aerogels are studied using a flexible coarse-
grained model and a variety of simulation techniques. The model, introduced in a previous …
grained model and a variety of simulation techniques. The model, introduced in a previous …
[HTML][HTML] Correlating synthesis parameters to morphological entities: Predictive modeling of biopolymer aerogels
In the past decade, biopolymer aerogels have gained significant research attention due to
their typical properties, such as low density and thermal insulation, which are reinforced with …
their typical properties, such as low density and thermal insulation, which are reinforced with …
Mechanical modeling and simulation of aerogels: A review
Aerogels are solids with exceptional characteristics, such as ultra-low density, high surface
area, high porosity, high adsorption and low-thermal conductivity. Due to these …
area, high porosity, high adsorption and low-thermal conductivity. Due to these …
Modeling and simulation of the aggregation and the structural and mechanical properties of silica aerogels
R Abdusalamov, C Scherdel, M Itskov… - The Journal of …, 2021 - ACS Publications
Mechanical properties of aerogels are controlled by the connectivity of their network. In this
paper, in order to study these properties, computational models of silica aerogels with …
paper, in order to study these properties, computational models of silica aerogels with …
The cluster model: a simulation of the aerogel structure as a hierarchically-ordered arrangement of randomly packed spheres
A new structural model based on the premises widely used for describing the structure of
aerogels has been introduced. These structures have been described as an assemblage of …
aerogels has been introduced. These structures have been described as an assemblage of …
Structure and thermal conductivity of silica aerogels from computer simulations
B Good - MRS Online Proceedings Library (OPL), 2005 - cambridge.org
Aerogels are of current interest in the aerospace community due to their light weight and low
thermal conductivity, making them suitable for a variety of applications, notably cryotank …
thermal conductivity, making them suitable for a variety of applications, notably cryotank …
Enhanced thermal characterization of silica aerogels through molecular dynamics simulation
Porous structures of silica aerogels are generated using classical molecular dynamics, with
the Tersoff potential, which has been re-parametrized for modeling silicon dioxides. This …
the Tersoff potential, which has been re-parametrized for modeling silicon dioxides. This …